N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-[(3R)-oxan-3-yl]acetamide

C15H22N2O2 — CID 126452767

IUPACN-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-[(3R)-oxan-3-yl]acetamide
SMILESCc1cnccc1CN(C)C(=O)C[C@H]1CCCOC1
InChIInChI=1S/C15H22N2O2/c1-12-9-16-6-5-14(12)10-17(2)15(18)8-13-4-3-7-19-11-13/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3/t13-/m1/s1
InChIKeyPOZAGCILZFILSR-CYBMUJFWSA-N
MW262.35 g/mol
LogP2.17
Rot. Bonds4

About N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-[(3R)-oxan-3-yl]acetamide

N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-[(3R)-oxan-3-yl]acetamide (PubChem CID 126452767) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-[(3R)-oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-[(3R)-oxan-3-yl]acetamide
PubChem CID126452767
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-[(3R)-oxan-3-yl]acetamide
SMILESCc1cnccc1CN(C)C(=O)C[C@H]1CCCOC1
InChIInChI=1S/C15H22N2O2/c1-12-9-16-6-5-14(12)10-17(2)15(18)8-13-4-3-7-19-11-13/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3/t13-/m1/s1
InChIKeyPOZAGCILZFILSR-CYBMUJFWSA-N
XLogP2.17
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-[(3R)-oxan-3-yl]acetamide?
The IUPAC name of N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-[(3R)-oxan-3-yl]acetamide (CID 126452767) is N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-[(3R)-oxan-3-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-[(3R)-oxan-3-yl]acetamide?
The canonical SMILES for N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-[(3R)-oxan-3-yl]acetamide is Cc1cnccc1CN(C)C(=O)C[C@H]1CCCOC1.
What is the InChIKey of N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-[(3R)-oxan-3-yl]acetamide?
The InChIKey is POZAGCILZFILSR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-9-16-6-5-14(12)10-17(2)15(18)8-13-4-3-7-19-11-13/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-[(3R)-oxan-3-yl]acetamide?
N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-[(3R)-oxan-3-yl]acetamide has a molecular weight of 262.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-[(3R)-oxan-3-yl]acetamide is sourced from PubChem (CID 126452767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).